Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.7 A 0.29 C Shift Assignments>> C :: 171.197 CA :: 54.771 CB :: 32.726 CG :: 31.029 CE :: 16.794 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> HA :: 4.017 HB2 :: 2.062 HB3 :: 1.985 HG2 :: 2.456 HG3 :: 2.170 HE1 :: 2.011 HE2 :: 2.011 HE3 :: 2.011 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) 1.N2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.64 D 0.35 C Shift Assignments>> C :: 174.227 CA :: 52.632 CB :: 39.376 CG :: 176.802 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.463 HA :: 5.267 HB2 :: 2.632 HB3 :: 2.536 HD21 :: 7.476 HD22 :: 6.855 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 123.179 ND2 :: 112.342 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.Y3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.87 G 0.12 HN Overlap>> 1.K4 1.K4 C Shift Assignments>> C :: 176.995 CA :: 57.652 CB :: 42.984 CD1 :: 132.912 CD2 :: 132.912 CE1 :: 117.910 CE2 :: 117.910 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.841 HA :: 4.761 HB2 :: 3.183 HB3 :: 2.121 HD1 :: 6.917 HD2 :: 6.917 HE1 :: 6.800 HE2 :: 6.800 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 120.086 Ave N Shift Values>> N :: 120.79(4.69) 1.K4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.55 R 0.39 M 0.02 G 0.01 HN Overlap>> 1.Y3 1.Y3 C Shift Assignments>> C :: 179.049 CA :: 53.898 CB :: 32.017 CG :: 24.489 CD :: 27.930 CE :: 42.170 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.789 HA :: 4.550 HB2 :: 2.407 HB3 :: 1.562 HG2 :: 1.547 HG3 :: 1.547 HD2 :: 1.798 HD3 :: 1.609 HE2 :: 2.999 HE3 :: 3.000 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.118 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.I5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 179.084 CA :: 66.840 CB :: 36.598 CG1 :: 32.516 CG2 :: 17.612 CD1 :: 13.853 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 10.387 HA :: 3.306 HB :: 1.636 HG12 :: 1.703 HG13 :: 0.553 HG21 :: 0.490 HG22 :: 0.490 HG23 :: 0.490 HD11 :: 0.666 HD12 :: 0.666 HD13 :: 0.666 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 126.013 Ave N Shift Values>> N :: 121.6(4.72) 1.S6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.744 CA :: 60.449 CB :: 62.537 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.986 HA :: 4.087 HB2 :: 4.072 HB3 :: 3.731 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.336 Ave N Shift Values>> N :: 116.3(3.95) 1.E7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.65 M 0.23 I 0.07 K 0.03 C Shift Assignments>> C :: 176.407 CA :: 56.032 CB :: 31.225 CG :: 37.223 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.790 HA :: 4.254 HB2 :: 2.486 HB3 :: 2.262 HG2 :: 2.286 HG3 :: 2.286 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.530 Ave N Shift Values>> N :: 120.68(3.68) 1.L8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 A 0.26 R 0.13 G 0.01 C Shift Assignments>> C :: 175.074 CA :: 55.412 CB :: 41.939 CG :: 25.764 CD1 :: 26.660 CD2 :: 21.357 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.258 HA :: 3.595 HB2 :: 1.772 HB3 :: 0.956 HG :: 1.839 HD11 :: 0.681 HD12 :: 0.681 HD13 :: 0.681 HD21 :: 0.240 HD22 :: 0.240 HD23 :: 0.240 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 116.521 Ave N Shift Values>> N :: 121.98(4.07) 1.M9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.53 M 0.45 C Shift Assignments>> C :: 171.512 CA :: 52.425 CB :: 34.417 CG :: 31.409 CE :: 17.197 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 6.468 HA :: 4.734 HB2 :: 2.047 HB3 :: 1.691 HG2 :: 2.470 HG3 :: 2.399 HE1 :: 2.084 HE2 :: 2.084 HE3 :: 2.084 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 116.450 Ave N Shift Values>> N :: 120.1(3.88) 1.P10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 175.996 CA :: 63.680 CB :: 31.982 CG :: 28.056 CD :: 50.234 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 3.771 HB2 :: 2.153 HB3 :: 1.870 HG2 :: 2.145 HG3 :: 1.737 HD2 :: 3.695 HD3 :: 3.572 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.N11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 N 0.36 D 0.21 Q 0.05 C Shift Assignments>> C :: 173.628 CA :: 54.925 CB :: 36.745 CG :: 178.798 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.810 HA :: 4.203 HB2 :: 3.181 HB3 :: 3.117 HD21 :: 7.687 HD22 :: 7.076 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 114.771 ND2 :: 114.671 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.53 L 0.45 C Shift Assignments>> C :: 175.160 CA :: 54.404 CB :: 45.093 CG :: 26.428 CD1 :: 24.787 CD2 :: 24.811 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.161 HA :: 4.535 HB2 :: 1.481 HB3 :: 1.384 HG :: 1.470 HD11 :: 0.708 HD12 :: 0.708 HD13 :: 0.708 HD21 :: 0.571 HD22 :: 0.571 HD23 :: 0.571 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.367 Ave N Shift Values>> N :: 121.98(4.07) 1.S13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.T15 1.T15 C Shift Assignments>> C :: 174.446 CA :: 56.434 CB :: 64.900 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.245 HA :: 5.543 HB2 :: 3.767 HB3 :: 3.705 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.161 Ave N Shift Values>> N :: 116.3(3.95) 1.G14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.9 L 0.07 R 0.01 C Shift Assignments>> C :: 170.848 CA :: 45.998 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.559 HA2 :: 4.574 HA3 :: 4.107 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.197 Ave N Shift Values>> N :: 109.91(4.29) 1.T15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 1.S13 1.S13 C Shift Assignments>> C :: 173.498 CA :: 61.739 CB :: 71.682 CG2 :: 22.350 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.296 HA :: 5.536 HB :: 3.835 HG21 :: 1.078 HG22 :: 1.078 HG23 :: 1.078 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 116.140 Ave N Shift Values>> N :: 115.7(5.05) 1.I16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.96 A 0.02 G 0.01 C Shift Assignments>> C :: 174.191 CA :: 59.046 CB :: 41.625 CG1 :: 26.197 CG2 :: 17.508 CD1 :: 14.331 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.269 HA :: 5.055 HB :: 1.903 HG12 :: 1.307 HG13 :: 1.065 HG21 :: 0.776 HG22 :: 0.776 HG23 :: 0.776 HD11 :: 0.553 HD12 :: 0.553 HD13 :: 0.553 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 118.939 Ave N Shift Values>> N :: 121.6(4.72) 1.N17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.53 D 0.46 C Shift Assignments>> C :: 173.926 CA :: 52.512 CB :: 40.602 CG :: 176.690 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.962 HA :: 5.554 HB2 :: 2.682 HB3 :: 2.486 HD21 :: 7.302 HD22 :: 6.848 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 122.622 ND2 :: 109.841 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.A18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.42 L 0.35 K 0.1 R 0.04 M 0.02 A 0.01 H 0.01 C Shift Assignments>> C :: 174.207 CA :: 50.697 CB :: 24.641 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.124 HA :: 4.908 HB1 :: 1.189 HB2 :: 1.189 HB3 :: 1.189 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.290 Ave N Shift Values>> N :: 123.23(3.7) 1.E19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.48 M 0.39 Q 0.06 K 0.04 I 0.01 C Shift Assignments>> C :: 176.585 CA :: 54.930 CB :: 31.588 CG :: 36.133 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.039 HA :: 4.814 HB2 :: 1.942 HB3 :: 1.935 HG2 :: 2.052 HG3 :: 2.052 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.340 Ave N Shift Values>> N :: 120.68(3.68) 1.V20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.244 CA :: 62.905 CB :: 30.719 CG1 :: 22.153 CG2 :: 20.574 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.261 HA :: 4.170 HB :: 2.433 HG11 :: 0.692 HG12 :: 0.692 HG13 :: 0.692 HG21 :: 0.821 HG22 :: 0.821 HG23 :: 0.821 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 126.296 Ave N Shift Values>> N :: 121.02(4.96) 1.V21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.818 CA :: 63.590 CB :: 32.532 CG1 :: 21.689 CG2 :: 21.608 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.145 HA :: 4.149 HB :: 1.999 HG11 :: 0.959 HG12 :: 0.959 HG13 :: 0.959 HG21 :: 0.871 HG22 :: 0.871 HG23 :: 0.871 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 130.990 Ave N Shift Values>> N :: 121.02(4.96) 1.A22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 A 0.25 M 0.15 K 0.06 C Shift Assignments>> C :: 174.363 CA :: 52.283 CB :: 22.673 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.767 HA :: 4.358 HB1 :: 1.205 HB2 :: 1.205 HB3 :: 1.205 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.623 Ave N Shift Values>> N :: 123.23(3.7) 1.A23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.76 M 0.14 L 0.08 C Shift Assignments>> C :: 175.197 CA :: 51.244 CB :: 21.158 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.497 HA :: 4.758 HB1 :: 1.119 HB2 :: 1.119 HB3 :: 1.119 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.528 Ave N Shift Values>> N :: 123.23(3.7) 1.Y24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.98 H 0.01 C Shift Assignments>> C :: 173.124 CA :: 57.008 CB :: 37.376 CD1 :: 132.659 CD2 :: 132.659 CE1 :: 118.138 CE2 :: 118.138 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.102 HA :: 4.787 HB2 :: 3.233 HB3 :: 3.023 HD1 :: 7.092 HD2 :: 7.092 HE1 :: 6.664 HE2 :: 6.664 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 124.067 Ave N Shift Values>> N :: 120.79(4.69) 1.P25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.481 CA :: 62.781 CB :: 32.106 CG :: 28.139 CD :: 50.612 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.504 HB2 :: 2.455 HB3 :: 1.887 HG2 :: 2.200 HG3 :: 2.102 HD2 :: 4.019 HD3 :: 3.829 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.K26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.61 R 0.32 M 0.04 G 0.01 C Shift Assignments>> C :: 175.320 CA :: 57.293 CB :: 33.355 CG :: 25.073 CD :: 29.604 CE :: 42.004 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.728 HA :: 4.570 HB2 :: 1.761 HB3 :: 1.761 HG2 :: 1.328 HG3 :: 1.328 HD2 :: 1.542 HD3 :: 1.276 HE2 :: 2.919 HE3 :: 2.739 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 122.955 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.6 R 0.32 G 0.03 M 0.03 C Shift Assignments>> C :: 175.096 CA :: 54.728 CB :: 36.069 CG :: 24.544 CD :: 29.169 CE :: 42.182 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 9.241 HA :: 4.795 HB2 :: 1.888 HB3 :: 1.742 HG2 :: 1.495 HG3 :: 1.495 HD2 :: 1.712 HD3 :: 1.712 HE2 :: 2.989 HE3 :: 2.989 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 124.071 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.54 M 0.41 I 0.02 C Shift Assignments>> C :: 175.978 CA :: 55.179 CB :: 32.453 CG :: 37.240 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.547 HA :: 5.151 HB2 :: 2.020 HB3 :: 2.020 HG2 :: 2.294 HG3 :: 2.243 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.689 Ave N Shift Values>> N :: 120.68(3.68) 1.F29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.98 G 0.01 C Shift Assignments>> C :: 173.242 CA :: 56.071 CB :: 41.617 CD1 :: 132.509 CD2 :: 132.509 CE1 :: 131.108 CE2 :: 131.108 CZ :: 129.952 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.174 HA :: 5.053 HB2 :: 3.174 HB3 :: 2.967 HD1 :: 6.933 HD2 :: 6.933 HE1 :: 7.341 HE2 :: 7.341 HZ :: 7.561 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 119.486 Ave N Shift Values>> N :: 120.69(4.18) 1.S30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.676 CA :: 57.827 CB :: 64.459 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.793 HA :: 4.938 HB2 :: 3.837 HB3 :: 3.767 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.274 Ave N Shift Values>> N :: 116.3(3.95) 1.R31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.55 K 0.33 G 0.11 C Shift Assignments>> C :: 178.573 CA :: 55.863 CB :: 31.642 CG :: 28.724 CD :: 43.392 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.913 HA :: 4.633 HB2 :: 1.963 HB3 :: 1.963 HG2 :: 1.657 HG3 :: 1.500 HD2 :: 3.160 HD3 :: 3.105 HE :: 7.184 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 123.734 NE :: 84.776 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.K32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.59 R 0.35 M 0.03 G 0.01 HN Overlap>> 1.K40 1.K40 C Shift Assignments>> C :: 176.962 CA :: 59.147 CB :: 31.898 CG :: 24.799 CD :: 28.986 CE :: 42.166 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.896 HA :: 4.095 HB2 :: 1.890 HB3 :: 1.890 HG2 :: 1.546 HG3 :: 1.520 HD2 :: 1.712 HD3 :: 1.712 HE2 :: 3.012 HE3 :: 3.012 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 122.362 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.D33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 N 0.32 L 0.11 F 0.08 Y 0.08 K 0.02 C Shift Assignments>> C :: 177.093 CA :: 53.321 CB :: 40.064 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.634 HA :: 4.516 HB2 :: 3.129 HB3 :: 2.591 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 115.529 Ave N Shift Values>> N :: 120.73(4.2) 1.G34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.84 L 0.09 R 0.03 C Shift Assignments>> C :: 175.294 CA :: 45.321 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.084 HA2 :: 4.347 HA3 :: 3.723 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.892 Ave N Shift Values>> N :: 109.91(4.29) 1.T35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.396 CA :: 62.077 CB :: 70.956 CG2 :: 21.744 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.020 HA :: 4.384 HB :: 4.261 HG21 :: 1.178 HG22 :: 1.178 HG23 :: 1.178 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 113.323 Ave N Shift Values>> N :: 115.7(5.05) 1.K36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.69 R 0.24 M 0.03 G 0.01 C Shift Assignments>> C :: 176.808 CA :: 55.519 CB :: 34.393 CG :: 24.708 CD :: 28.981 CE :: 42.106 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.420 HA :: 4.888 HB2 :: 1.710 HB3 :: 1.710 HG2 :: 1.437 HG3 :: 1.350 HD2 :: 1.564 HD3 :: 1.537 HE2 :: 2.896 HE3 :: 2.896 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.442 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.G37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.35 L 0.3 G 0.19 D 0.04 F 0.04 K 0.02 Y 0.02 C Shift Assignments>> C :: 172.281 CA :: 43.812 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.225 HA2 :: 4.424 HA3 :: 3.076 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.135 Ave N Shift Values>> N :: 109.91(4.29) 1.Q38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.89 E 0.1 C Shift Assignments>> C :: 173.846 CA :: 54.040 CB :: 31.994 CG :: 32.046 CD :: 180.064 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.997 HA :: 5.590 HB2 :: 2.455 HB3 :: 2.222 HG2 :: 2.301 HG3 :: 1.639 HE21 :: 7.276 HE22 :: 7.017 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 113.711 NE2 :: 112.841 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.48 L 0.42 R 0.08 C Shift Assignments>> C :: 174.377 CA :: 54.402 CB :: 44.492 CG :: 26.012 CD1 :: 24.649 CD2 :: 26.883 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.058 HA :: 5.239 HB2 :: 1.382 HB3 :: 0.790 HG :: 1.413 HD11 :: 0.332 HD12 :: 0.332 HD13 :: 0.332 HD21 :: 0.472 HD22 :: 0.472 HD23 :: 0.472 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.380 Ave N Shift Values>> N :: 121.98(4.07) 1.K40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.63 K 0.24 M 0.07 G 0.04 HN Overlap>> 1.K32 1.K32 C Shift Assignments>> C :: 174.338 CA :: 56.268 CB :: 37.139 CG :: 24.559 CD :: 30.617 CE :: 42.329 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.903 HA :: 4.681 HB2 :: 1.780 HB3 :: 1.736 HG2 :: 1.846 HG3 :: 1.200 HD2 :: 1.896 HD3 :: 1.718 HE2 :: 3.154 HE3 :: 2.873 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 122.261 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.S41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.356 CA :: 58.525 CB :: 64.486 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.988 HA :: 5.088 HB2 :: 3.718 HB3 :: 3.586 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 123.588 Ave N Shift Values>> N :: 116.3(3.95) 1.L42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.62 L 0.31 A 0.05 HN Overlap>> 1.I85 1.I85 C Shift Assignments>> C :: 175.920 CA :: 52.926 CB :: 46.681 CG :: 27.122 CD1 :: 26.183 CD2 :: 23.840 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.005 HA :: 5.178 HB2 :: 1.560 HB3 :: 1.459 HG :: 1.627 HD11 :: 0.751 HD12 :: 0.751 HD13 :: 0.751 HD21 :: 0.894 HD22 :: 0.894 HD23 :: 0.894 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.695 Ave N Shift Values>> N :: 121.98(4.07) 1.F43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.98 G 0.01 C Shift Assignments>> C :: 174.488 CA :: 57.407 CB :: 41.838 CD1 :: 130.766 CD2 :: 130.766 CE1 :: 131.457 CE2 :: 131.457 CZ :: 129.963 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.053 HA :: 5.253 HB2 :: 3.108 HB3 :: 3.046 HD1 :: 7.123 HD2 :: 7.123 HE1 :: 7.255 HE2 :: 7.255 HZ :: 7.295 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 123.160 Ave N Shift Values>> N :: 120.69(4.18) 1.L44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 G 0.45 R 0.04 C Shift Assignments>> C :: 174.881 CA :: 53.700 CB :: 44.689 CG :: 27.137 CD1 :: 25.806 CD2 :: 24.938 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.802 HA :: 5.352 HB2 :: 1.762 HB3 :: 1.141 HG :: 1.473 HD11 :: 0.639 HD12 :: 0.639 HD13 :: 0.639 HD21 :: 0.776 HD22 :: 0.776 HD23 :: 0.776 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 127.768 Ave N Shift Values>> N :: 121.98(4.07) 1.K45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.58 K 0.31 G 0.04 M 0.03 A 0.01 C Shift Assignments>> C :: 174.858 CA :: 55.625 CB :: 37.681 CG :: 24.310 CD :: 29.700 CE :: 42.108 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 9.209 HA :: 5.247 HB2 :: 1.777 HB3 :: 1.588 HG2 :: 1.392 HG3 :: 1.358 HD2 :: 1.573 HD3 :: 1.519 HE2 :: 2.857 HE3 :: 2.857 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.149 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.D46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 L 0.24 N 0.12 K 0.11 R 0.06 F 0.05 Y 0.03 HN Overlap>> 1.L55 1.L55 C Shift Assignments>> C :: 175.664 CA :: 52.599 CB :: 41.838 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.910 HA :: 5.145 HB2 :: 3.474 HB3 :: 3.080 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 126.536 Ave N Shift Values>> N :: 120.73(4.2) 1.D47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.24 F 0.22 D 0.2 N 0.14 L 0.09 I 0.03 E 0.02 K 0.01 C Shift Assignments>> C :: 176.517 CA :: 55.822 CB :: 39.384 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.995 HA :: 4.503 HB2 :: 2.794 HB3 :: 2.794 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 114.512 Ave N Shift Values>> N :: 120.73(4.2) 1.T48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.998 CA :: 62.095 CB :: 70.642 CG2 :: 22.538 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.629 HA :: 4.655 HB :: 4.363 HG21 :: 1.138 HG22 :: 1.138 HG23 :: 1.138 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 111.625 Ave N Shift Values>> N :: 115.7(5.05) 1.G49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.07 R 0.01 C Shift Assignments>> C :: 169.709 CA :: 45.846 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.672 HA2 :: 4.086 HA3 :: 4.086 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.638 Ave N Shift Values>> N :: 109.91(4.29) 1.S50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.66 T 0.33 C Shift Assignments>> C :: 172.854 CA :: 56.809 CB :: 67.002 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.255 HA :: 5.658 HB2 :: 3.679 HB3 :: 3.679 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 111.880 Ave N Shift Values>> N :: 116.3(3.95) 1.I51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.93 G 0.06 C Shift Assignments>> C :: 171.664 CA :: 61.205 CB :: 41.997 CG1 :: 29.000 CG2 :: 15.339 CD1 :: 15.949 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.231 HA :: 4.556 HB :: 1.581 HG12 :: 1.586 HG13 :: 1.476 HG21 :: 0.508 HG22 :: 0.508 HG23 :: 0.508 HD11 :: 0.581 HD12 :: 0.581 HD13 :: 0.581 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 120.991 Ave N Shift Values>> N :: 121.6(4.72) 1.R52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.57 K 0.3 G 0.11 C Shift Assignments>> C :: 175.613 CA :: 55.652 CB :: 32.022 CG :: 28.021 CD :: 43.423 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.513 HA :: 4.923 HB2 :: 1.875 HB3 :: 1.741 HG2 :: 1.548 HG3 :: 1.466 HD2 :: 3.080 HD3 :: 3.080 HE :: 7.118 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 125.893 NE :: 84.268 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.G53 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.39 L 0.26 R 0.24 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 172.146 CA :: 44.264 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.053 HA2 :: 5.493(S) HA3 :: 3.031 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.869 Ave N Shift Values>> N :: 109.91(4.29) 1.T54 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 172.139 CA :: 62.000 CB :: 70.681 CG2 :: 22.729 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.516 HA :: 4.629 HB :: 3.673 HG21 :: 0.145(S) HG22 :: 0.145(S) HG23 :: 0.145(S) Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 116.809 Ave N Shift Values>> N :: 115.7(5.05) 1.L55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.87 R 0.09 G 0.02 HN Overlap>> 1.D46 1.D46 C Shift Assignments>> C :: 175.109 CA :: 53.468 CB :: 42.053 CG :: 27.133 CD1 :: 25.764 CD2 :: 24.522 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.804 HA :: 4.467 HB2 :: 1.820 HB3 :: 1.098 HG :: 1.537 HD11 :: 0.922 HD12 :: 0.922 HD13 :: 0.922 HD21 :: 0.779 HD22 :: 0.779 HD23 :: 0.779 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 126.567 Ave N Shift Values>> N :: 121.98(4.07) 1.W56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.91 H 0.08 C Shift Assignments>> C :: 177.678 CA :: 56.493 CB :: 32.242 CD1 :: 128.102 CE3 :: 120.219 CZ2 :: 114.580 CZ3 :: 122.440 CH2 :: 124.431 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 9.440 HA :: 5.033 HB2 :: 3.345 HB3 :: 3.224 HD1 :: 7.340 HE1 :: 9.976 HE3 :: 7.683 HZ2 :: 7.423 HZ3 :: 6.521 HH2 :: 6.939 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 122.317 NE1 :: 129.108 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.N57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.8 D 0.15 E 0.04 C Shift Assignments>> C :: 177.810 CA :: 55.159 CB :: 36.898 CG :: 176.924 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 9.413 HA :: 4.539 HB2 :: 3.318 HB3 :: 3.065 HD21 :: 8.104 HD22 :: 7.150 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 119.168 ND2 :: 115.283 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.E58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.62 E 0.28 K 0.06 Q 0.01 C Shift Assignments>> C :: 179.208 CA :: 60.654 CB :: 28.259 CG :: 36.553 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 10.032 HA :: 4.225 HB2 :: 2.202 HB3 :: 2.202 HG2 :: 2.510 HG3 :: 2.510 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 127.238 Ave N Shift Values>> N :: 120.68(3.68) 1.L59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.82 R 0.15 C Shift Assignments>> C :: 177.812 CA :: 56.194 CB :: 41.686 CG :: 27.818 CD1 :: 24.999 CD2 :: 23.959 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.931 HA :: 4.339 HB2 :: 1.951 HB3 :: 1.647 HG :: 1.899 HD11 :: 0.984 HD12 :: 0.984 HD13 :: 0.984 HD21 :: 0.895 HD22 :: 0.895 HD23 :: 0.895 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.982 Ave N Shift Values>> N :: 121.98(4.07) 1.A60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.53 M 0.44 I 0.01 C Shift Assignments>> C :: 176.441 CA :: 53.722 CB :: 17.436 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.812 HA :: 3.955 HB1 :: 1.215 HB2 :: 1.215 HB3 :: 1.215 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.898 Ave N Shift Values>> N :: 123.23(3.7) 1.D61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.25 D 0.24 K 0.19 R 0.09 F 0.08 Y 0.06 N 0.05 C Shift Assignments>> C :: 175.661 CA :: 54.728 CB :: 41.769 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 6.997 HA :: 4.796 HB2 :: 2.954 HB3 :: 2.476 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 112.739 Ave N Shift Values>> N :: 120.73(4.2) 1.F62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 175.543 CA :: 59.847 CB :: 40.472 CD1 :: 131.881 CD2 :: 131.881 CE1 :: 131.469 CE2 :: 131.469 CZ :: 129.751 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.851 HA :: 4.099 HB2 :: 3.302 HB3 :: 2.935 HD1 :: 7.024 HD2 :: 7.024 HE1 :: 7.193 HE2 :: 7.191 HZ :: 7.264 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 124.447 Ave N Shift Values>> N :: 120.69(4.18) 1.E63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.47 K 0.23 Q 0.13 I 0.09 M 0.03 R 0.01 C Shift Assignments>> C :: 173.517 CA :: 56.734 CB :: 28.718 CG :: 35.928 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.929 HA :: 4.166 HB2 :: 1.745 HB3 :: 1.680 HG2 :: 2.080 HG3 :: 2.056 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 129.551 Ave N Shift Values>> N :: 120.68(3.68) 1.V64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.96 I 0.02 A 0.01 C Shift Assignments>> C :: 171.874 CA :: 59.449 CB :: 33.838 CG1 :: 19.873 CG2 :: 22.813 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.492 HA :: 4.550 HB :: 2.176 HG11 :: 0.954 HG12 :: 0.954 HG13 :: 0.954 HG21 :: 1.071 HG22 :: 1.071 HG23 :: 1.071 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 124.341 Ave N Shift Values>> N :: 121.02(4.96) 1.K65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.58 R 0.18 A 0.08 G 0.07 M 0.06 C Shift Assignments>> C :: 174.785 CA :: 53.915 CB :: 36.222 CG :: 23.530 CD :: 29.049 CE :: 42.320 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 9.121 HA :: 4.612 HB2 :: 1.764 HB3 :: 1.711 HG2 :: 1.418 HG3 :: 1.182 HD2 :: 1.583 HD3 :: 1.583 HE2 :: 2.953 HE3 :: 2.953 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 126.710 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.64 R 0.26 M 0.07 G 0.01 C Shift Assignments>> C :: 177.105 CA :: 58.171 CB :: 32.373 CG :: 24.590 CD :: 29.645 CE :: 42.108 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.380 HA :: 3.751 HB2 :: 1.716 HB3 :: 1.655 HG2 :: 1.442 HG3 :: 1.263 HD2 :: 1.758 HD3 :: 1.672 HE2 :: 3.064 HE3 :: 3.064 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.894 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.G67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.64 L 0.18 R 0.12 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 174.736 CA :: 44.756 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.371 HA2 :: 4.482 HA3 :: 3.710 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 116.379 Ave N Shift Values>> N :: 109.91(4.29) 1.D68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.23 K 0.21 D 0.2 F 0.12 Y 0.1 R 0.07 N 0.03 I 0.01 C Shift Assignments>> C :: 174.625 CA :: 55.655 CB :: 41.495 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.119 HA :: 4.625 HB2 :: 2.859 HB3 :: 2.535 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 121.994 Ave N Shift Values>> N :: 120.73(4.2) 1.I69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.Q78 1.Q78 C Shift Assignments>> C :: 175.067 CA :: 59.650 CB :: 36.810 CG1 :: 27.030 CG2 :: 17.237 CD1 :: 10.646 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.835 HA :: 4.687 HB :: 1.962 HG12 :: 1.476 HG13 :: 1.375 HG21 :: 0.771 HG22 :: 0.771 HG23 :: 0.771 HD11 :: 0.746 HD12 :: 0.746 HD13 :: 0.746 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 120.662 Ave N Shift Values>> N :: 121.6(4.72) 1.A70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.57 L 0.27 M 0.11 K 0.01 C Shift Assignments>> C :: 174.999 CA :: 50.109 CB :: 22.381 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.433 HA :: 5.368 HB1 :: 1.076 HB2 :: 1.076 HB3 :: 1.076 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 129.320 Ave N Shift Values>> N :: 123.23(3.7) 1.E71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.63 M 0.26 I 0.04 K 0.04 Q 0.01 HN Overlap>> 1.I92 1.I92 C Shift Assignments>> C :: 176.067 CA :: 55.278 CB :: 31.130 CG :: 37.021 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.997 HA :: 5.076 HB2 :: 1.935 HB3 :: 1.806 HG2 :: 2.043 HG3 :: 1.902 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 122.821 Ave N Shift Values>> N :: 120.68(3.68) 1.V72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.97 I 0.02 C Shift Assignments>> C :: 173.882 CA :: 61.146 CB :: 34.700 CG1 :: 23.099 CG2 :: 20.897 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.012 HA :: 4.681 HB :: 1.910 HG11 :: 0.789 HG12 :: 0.789 HG13 :: 0.789 HG21 :: 0.773 HG22 :: 0.773 HG23 :: 0.773 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 127.424 Ave N Shift Values>> N :: 121.02(4.96) 1.S73 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 174.400 CA :: 55.945 CB :: 65.366 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.887 HA :: 5.937(S) HB2 :: 3.891 HB3 :: 3.692 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 120.976 Ave N Shift Values>> N :: 116.3(3.95) 1.G74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.05 C Shift Assignments>> C :: 169.953 CA :: 46.653 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.809 HA2 :: 4.609 HA3 :: 4.337 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.020 Ave N Shift Values>> N :: 109.91(4.29) 1.Y75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 174.928 CA :: 56.788 CB :: 41.534 CD1 :: 133.337 CD2 :: 133.337 CE1 :: 118.018 CE2 :: 118.018 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.069 HA :: 5.088 HB2 :: 3.062 HB3 :: 2.931 HD1 :: 7.009 HD2 :: 7.009 HE1 :: 6.762 HE2 :: 6.762 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 119.656 Ave N Shift Values>> N :: 120.79(4.69) 1.V76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 174.788 CA :: 62.060 CB :: 31.587 CG1 :: 23.686 CG2 :: 22.959 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.558 HA :: 4.535 HB :: 2.185 HG11 :: 0.580 HG12 :: 0.580 HG13 :: 0.580 HG21 :: 0.759 HG22 :: 0.759 HG23 :: 0.759 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 128.209 Ave N Shift Values>> N :: 121.02(4.96) 1.K77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.61 R 0.28 M 0.04 G 0.04 A 0.02 C Shift Assignments>> C :: 174.668 CA :: 53.979 CB :: 36.130 CG :: 24.243 CD :: 29.269 CE :: 42.172 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 9.098 HA :: 4.732 HB2 :: 1.851 HB3 :: 1.777 HG2 :: 1.511 HG3 :: 1.342 HD2 :: 1.742 HD3 :: 1.742 HE2 :: 2.975 HE3 :: 2.975 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 125.377 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Q78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.76 E 0.23 HN Overlap>> 1.I69 1.I69 C Shift Assignments>> C :: 175.747 CA :: 56.109 CB :: 29.190 CG :: 33.511 CD :: 179.673 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.833 HA :: 4.307 HB2 :: 2.074 HB3 :: 1.854 HG2 :: 2.335 HG3 :: 2.240 HE21 :: 7.559 HE22 :: 6.799 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 120.665 NE2 :: 111.825 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.G79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.3 L 0.28 G 0.28 D 0.03 F 0.03 Y 0.02 K 0.01 C Shift Assignments>> C :: 174.500 CA :: 44.045 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.136 HA2 :: 4.526 HA3 :: 3.862 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 116.268 Ave N Shift Values>> N :: 109.91(4.29) 1.Y80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 177.335 CA :: 60.703 CB :: 38.140 CD1 :: 133.142 CD2 :: 133.142 CE1 :: 118.288 CE2 :: 118.288 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.725 HA :: 4.310 HB2 :: 3.071 HB3 :: 3.035 HD1 :: 7.164 HD2 :: 7.164 HE1 :: 6.834 HE2 :: 6.834 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 120.862 Ave N Shift Values>> N :: 120.79(4.69) 1.S81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.695 CA :: 57.288 CB :: 63.680 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.488 HA :: 4.550 HB2 :: 3.771 HB3 :: 3.771 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 112.931 Ave N Shift Values>> N :: 116.3(3.95) 1.G82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.3 R 0.29 L 0.28 D 0.03 F 0.03 Y 0.02 K 0.01 C Shift Assignments>> C :: 173.660 CA :: 44.078 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.466 HA2 :: 4.416 HA3 :: 3.843 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.262 Ave N Shift Values>> N :: 109.91(4.29) 1.L83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.79 R 0.1 G 0.05 A 0.04 C Shift Assignments>> C :: 176.476 CA :: 55.344 CB :: 42.773 CG :: 26.613 CD1 :: 25.333 CD2 :: 22.938 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.687 HA :: 4.641 HB2 :: 1.752 HB3 :: 1.146 HG :: 1.688 HD11 :: 0.652 HD12 :: 0.652 HD13 :: 0.652 HD21 :: 0.611 HD22 :: 0.611 HD23 :: 0.611 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.184 Ave N Shift Values>> N :: 121.98(4.07) 1.E84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.69 E 0.27 Q 0.02 C Shift Assignments>> C :: 174.397 CA :: 54.322 CB :: 33.894 CG :: 36.038 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.803 HA :: 5.086 HB2 :: 1.903 HB3 :: 1.741 HG2 :: 2.041 HG3 :: 1.983 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.732 Ave N Shift Values>> N :: 120.68(3.68) 1.I85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.95 G 0.04 HN Overlap>> 1.L42 1.L42 C Shift Assignments>> C :: 174.364 CA :: 59.082 CB :: 41.988 CG1 :: 28.708 CG2 :: 15.639 CD1 :: 13.482 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.042 HA :: 4.921 HB :: 1.396 HG12 :: 1.368 HG13 :: 0.567 HG21 :: 0.723 HG22 :: 0.723 HG23 :: 0.723 HD11 :: 0.563 HD12 :: 0.563 HD13 :: 0.563 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 120.723 Ave N Shift Values>> N :: 121.6(4.72) 1.S86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.147 CA :: 57.421 CB :: 62.971 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.290 HA :: 4.872 HB2 :: 4.172 HB3 :: 3.913 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 126.066 Ave N Shift Values>> N :: 116.3(3.95) 1.V87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.294 CA :: 65.296 CB :: 32.493 CG1 :: 22.632 CG2 :: 22.299 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.553 HA :: 3.786 HB :: 2.157 HG11 :: 0.841 HG12 :: 0.841 HG13 :: 0.841 HG21 :: 0.721 HG22 :: 0.721 HG23 :: 0.721 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 129.298 Ave N Shift Values>> N :: 121.02(4.96) 1.D88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.32 R 0.26 D 0.13 K 0.11 F 0.05 Y 0.04 G 0.03 N 0.01 C Shift Assignments>> C :: 175.959 CA :: 55.067 CB :: 43.020 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 9.780 HA :: 4.950 HB2 :: 2.656 HB3 :: 2.656 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 127.212 Ave N Shift Values>> N :: 120.73(4.2) 1.N89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.67 N 0.29 G 0.03 C Shift Assignments>> C :: 171.529 CA :: 53.480 CB :: 42.212 CG :: 176.738 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.860 HA :: 4.770 HB2 :: 2.647 HB3 :: 2.595 HD21 :: 7.634 HD22 :: 6.844 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 116.698 ND2 :: 113.449 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.I90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.89 G 0.05 A 0.03 C Shift Assignments>> C :: 171.546 CA :: 58.599 CB :: 41.019 CG1 :: 28.550 CG2 :: 12.581 CD1 :: 14.375 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.127 HA :: 5.236 HB :: 1.397 HG12 :: 1.446 HG13 :: 0.569 HG21 :: -0.097 HG22 :: -0.097 HG23 :: -0.097 HD11 :: 0.565 HD12 :: 0.565 HD13 :: 0.565 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 121.454 Ave N Shift Values>> N :: 121.6(4.72) 1.G91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.42 L 0.25 R 0.23 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 171.989 CA :: 44.328 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.357 HA2 :: 4.518 HA3 :: 3.805 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.280 Ave N Shift Values>> N :: 109.91(4.29) 1.I92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.98 A 0.01 HN Overlap>> 1.E71 1.E71 C Shift Assignments>> C :: 176.634 CA :: 59.505 CB :: 36.938 CG1 :: 27.365 CG2 :: 17.806 CD1 :: 10.753 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.023 HA :: 4.595 HB :: 2.076 HG12 :: 1.695 HG13 :: 1.652 HG21 :: 0.916 HG22 :: 0.916 HG23 :: 0.916 HD11 :: 0.957 HD12 :: 0.957 HD13 :: 0.957 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 122.874 Ave N Shift Values>> N :: 121.6(4.72) 1.I93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.930 CA :: 61.196 CB :: 38.474 CG1 :: 27.237 CG2 :: 17.384 CD1 :: 12.223 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.047 HA :: 4.181 HB :: 1.690 HG12 :: 1.394 HG13 :: 1.095 HG21 :: 0.869 HG22 :: 0.869 HG23 :: 0.869 HD11 :: 0.730 HD12 :: 0.730 HD13 :: 0.730 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 129.183 Ave N Shift Values>> N :: 121.6(4.72) 1.E94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.52 M 0.36 Q 0.05 K 0.03 I 0.02 C Shift Assignments>> C :: 175.557 CA :: 56.065 CB :: 31.725 CG :: 36.222 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.137 HA :: 4.422 HB2 :: 1.988 HB3 :: 1.911 HG2 :: 2.234 HG3 :: 2.237 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 122.628 Ave N Shift Values>> N :: 120.68(3.68) 1.K95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.64 R 0.3 M 0.04 G 0.01 C Shift Assignments>> C :: 176.990 CA :: 56.276 CB :: 33.345 CG :: 25.061 CD :: 29.199 CE :: 42.046 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.632 HA :: 4.344 HB2 :: 1.818 HB3 :: 1.706 HG2 :: 1.461 HG3 :: 1.370 HD2 :: 1.656 HD3 :: 1.656 HE2 :: 2.974 HE3 :: 2.975 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 124.835 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.S96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.425 CA :: 58.696 CB :: 63.785 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.896 HA :: 4.311 HB2 :: 3.930 HB3 :: 3.806 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.785 Ave N Shift Values>> N :: 116.3(3.95) 1.L97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.85 R 0.1 G 0.02 A 0.01 C Shift Assignments>> C :: 177.584 CA :: 55.657 CB :: 42.137 CG :: 26.956 CD1 :: 25.023 CD2 :: 23.451 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.433 HA :: 4.286 HB2 :: 1.621 HB3 :: 1.549 HG :: 1.627 HD11 :: 0.901 HD12 :: 0.901 HD13 :: 0.901 HD21 :: 0.842 HD22 :: 0.842 HD23 :: 0.842 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.920 Ave N Shift Values>> N :: 121.98(4.07) 1.E98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.54 K 0.14 M 0.13 Q 0.08 I 0.08 C Shift Assignments>> C :: 176.501 CA :: 56.919 CB :: 30.093 CG :: 36.171 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.183 HA :: 4.133 HB2 :: 1.894 HB3 :: 1.857 HG2 :: 2.200 HG3 :: 2.123 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.326 Ave N Shift Values>> N :: 120.68(3.68) 1.H99 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H100 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H101 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H102 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H103 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H104 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 101 #Clerical: 0 #Suspicious: 3 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 98 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 6 Shift Relative Order (SRO) Results: #Consistent: 104 #Suspicious: 0 C Shift Results: #Consistent: 450 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 703 #Duplicate: 0 #Unknown: 0 #Suspicious: 5 #Anomalous: 0 N Shift Results: #Consistent: 105 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.G53 HA2 = 5.493(S), Expected = 3.95, Std = 0.4000, ChiSquare = 1.1455e-04 1.T54 HG21 = 0.145(S), Expected = 1.16, Std = 0.2800, ChiSquare = 2.8896e-04 1.T54 HG22 = 0.145(S), Expected = 1.16, Std = 0.2800, ChiSquare = 2.8896e-04 1.T54 HG23 = 0.145(S), Expected = 1.16, Std = 0.2800, ChiSquare = 2.8896e-04 1.S73 HA = 5.937(S), Expected = 4.51, Std = 0.4300, ChiSquare = 9.0468e-04